# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 Q C C 111.04 5.09 18.70 24.76 116.85 -151.39 -99.76 129.92 99.45 0.54 0.00 99.50 0.05 0.01 0.00 0.00 0.00 0.43 0.01 1 V E E 48.12 17.76 10.68 27.41 121.21 -163.44 -110.30 132.76 41.46 58.45 0.09 41.57 0.36 0.09 0.03 0.03 0.00 56.83 1.08 2 Q E E 98.02 4.66 19.72 25.23 121.19 -164.16 -113.61 137.41 16.58 83.25 0.17 15.07 1.17 0.25 0.07 0.10 0.00 82.01 1.35 3 L E E 64.04 17.42 12.48 29.02 120.40 -149.17 -104.25 134.37 20.81 78.93 0.27 19.27 1.13 0.24 0.09 0.14 0.00 78.35 0.78 4 Q E E 84.32 7.69 19.51 28.23 126.42 -170.78 -125.85 142.57 30.45 69.10 0.45 26.03 3.62 0.62 0.12 0.29 0.00 68.23 1.09 5 E E E 102.49 11.03 17.01 28.47 117.34 -129.06 -94.25 136.19 48.68 50.82 0.50 40.74 6.14 1.05 0.11 0.39 0.00 50.22 1.34 6 S C C 41.91 14.11 15.57 29.42 112.88 -150.26 -95.74 140.69 75.31 24.36 0.32 62.59 10.26 1.34 0.07 0.30 0.00 23.95 1.50 7 G C C 30.30 7.12 20.22 27.84 134.80 -110.81 125.69 172.83 83.50 16.43 0.06 54.23 28.68 0.78 0.01 0.07 0.00 15.34 0.89 8 P C C 74.10 9.72 17.81 27.97 114.05 -48.11 -68.74 147.80 84.50 15.45 0.05 62.29 20.14 0.90 0.00 0.07 0.00 16.07 0.52 9 G E E 21.66 12.63 19.54 32.09 134.73 148.83 -160.99 -132.26 18.70 81.27 0.03 14.64 4.18 0.27 0.00 0.04 0.00 79.96 0.92 10 L E E 79.54 10.78 21.87 32.65 120.56 -66.51 -106.07 133.12 3.80 96.19 0.00 3.47 0.32 0.01 0.00 0.00 0.00 95.56 0.64 11 V E E 14.83 20.76 15.23 35.97 127.25 -172.65 -125.25 142.02 5.78 94.22 0.00 5.72 0.21 0.00 0.00 0.00 0.00 91.36 2.71 12 K C C 106.71 4.63 23.96 28.62 118.71 -121.35 -80.98 148.64 94.03 5.96 0.01 93.69 0.72 0.03 0.00 0.01 0.00 5.13 0.42 13 P C T 46.27 16.08 13.96 29.82 110.44 -90.20 -61.22 140.15 99.63 0.18 0.19 0.22 2.28 97.23 0.00 0.14 0.00 0.10 0.03 14 S C T 75.03 5.05 20.20 26.09 94.32 16.93 78.03 1.48 99.68 0.13 0.19 0.30 2.40 97.05 0.00 0.15 0.00 0.09 0.01 15 E C C 81.37 7.88 17.69 26.79 124.70 118.36 -90.87 155.70 95.53 4.37 0.10 70.93 24.54 0.31 0.01 0.11 0.00 3.71 0.40 16 T C C 74.60 9.00 18.91 28.77 119.35 -125.12 -99.01 137.46 53.73 46.26 0.01 54.31 0.39 0.02 0.00 0.00 0.00 44.74 0.53 17 L E E 14.45 21.85 14.88 36.72 125.77 -168.78 -122.81 140.47 0.67 99.33 0.00 0.70 0.01 0.00 0.00 0.00 0.00 99.21 0.07 18 S E E 54.24 8.19 24.43 33.21 121.31 -153.75 -112.84 133.11 0.43 99.57 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.01 19 L E E 7.26 24.90 16.18 41.39 122.99 -169.72 -118.87 134.59 3.08 96.92 0.00 3.00 0.10 0.00 0.00 0.00 0.00 96.85 0.05 20 T E E 56.07 8.54 26.37 35.50 123.62 -162.48 -115.96 137.69 14.96 85.02 0.01 13.91 0.43 0.02 0.00 0.01 0.00 85.51 0.12 21 C E E 5.43 25.16 16.17 41.64 129.31 -172.87 -130.53 142.81 20.20 79.76 0.04 19.32 0.51 0.04 0.01 0.02 0.00 79.89 0.20 22 S E E 43.72 8.22 27.15 36.06 124.27 -162.96 -118.60 139.98 8.22 91.72 0.06 7.87 0.45 0.05 0.04 0.03 0.00 89.90 1.66 23 V E E 11.13 24.26 14.43 38.62 120.65 -161.10 -118.40 129.28 16.93 82.94 0.13 15.89 0.85 0.12 0.08 0.07 0.00 78.90 4.11 24 S C E 59.18 6.80 21.77 28.88 120.01 -159.88 -103.15 140.14 59.87 39.59 0.54 36.34 17.09 7.49 0.07 0.59 0.00 37.19 1.23 25 G C S 47.14 4.29 19.78 24.60 113.73 9.85 88.78 -0.69 87.05 12.15 0.80 13.84 55.75 17.10 0.06 0.88 0.00 11.40 0.98 26 G C S 31.80 8.34 18.10 27.16 130.10 75.00 114.07 -173.18 89.14 10.09 0.77 29.08 52.17 8.01 0.07 0.91 0.00 8.45 1.31 27 S C C 63.44 7.04 21.38 29.05 123.34 -83.66 -115.04 145.68 88.54 10.84 0.62 71.07 13.08 4.06 0.08 0.79 0.00 8.98 1.94 28 I C C 25.16 21.93 12.67 33.64 119.78 -160.38 -113.05 131.18 75.26 23.81 0.94 67.82 5.16 1.52 0.21 0.85 0.00 18.52 5.91 29 N C S 98.94 4.69 22.28 27.39 100.36 -173.29 -92.55 -22.95 77.23 21.91 0.87 26.67 36.90 14.06 0.08 0.98 0.00 19.87 1.44 30 S C E 47.15 8.14 22.38 30.87 132.93 10.94 -141.08 150.24 60.47 38.85 0.67 23.27 24.77 12.50 0.05 0.83 0.00 37.86 0.73 31 Y E E 27.21 22.37 16.36 37.90 133.58 -170.12 -138.60 149.47 34.48 65.45 0.07 30.92 2.73 0.15 0.01 0.06 0.00 65.72 0.41 32 Y E E 57.40 12.54 26.55 39.36 132.31 -163.01 -131.27 146.46 3.73 96.27 0.00 3.46 0.16 0.01 0.00 0.00 0.00 96.24 0.13 33 W E E 6.85 25.73 19.74 45.74 126.58 -164.07 -122.61 140.89 0.70 99.30 0.00 0.64 0.02 0.00 0.00 0.00 0.00 99.32 0.01 34 T E E 21.60 14.99 27.49 42.69 133.33 -174.12 -133.13 150.55 0.44 99.56 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.58 0.00 35 W E E 8.53 24.44 21.07 45.58 126.59 -155.28 -119.13 141.03 0.53 99.47 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.52 0.01 36 I E E 21.14 15.54 24.63 40.54 126.93 -166.64 -122.32 140.72 0.46 99.54 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.57 0.01 37 R E E 47.76 16.99 20.55 37.16 122.64 -159.52 -114.39 135.02 1.23 98.77 0.00 1.07 0.06 0.00 0.00 0.00 0.00 98.81 0.06 38 Q E E 53.29 11.99 18.29 31.26 117.01 -155.28 -109.54 122.99 24.53 75.46 0.01 22.47 1.18 0.03 0.00 0.01 0.00 75.93 0.39 39 P C C 41.59 9.24 14.46 25.59 117.04 -124.63 -70.30 154.34 93.63 6.19 0.18 90.22 2.43 0.62 0.03 0.14 0.00 6.14 0.42 40 P C T 94.04 5.56 12.10 19.48 109.29 -84.22 -59.55 135.89 95.70 0.24 4.05 1.11 5.61 87.98 0.09 4.98 0.00 0.14 0.09 41 G C T 69.42 0.29 12.84 10.63 96.21 17.02 82.14 -3.76 95.53 0.19 4.28 1.16 5.64 87.70 0.11 5.22 0.00 0.11 0.07 42 K C S 134.75 2.91 11.50 15.89 107.42 75.17 -105.01 0.15 90.93 3.09 5.98 22.52 47.55 20.12 0.40 6.63 0.00 1.81 0.98 43 G C C 35.89 3.47 15.97 20.48 127.20 -116.08 93.96 -169.22 87.53 12.18 0.29 66.70 18.30 2.24 0.04 0.32 0.00 11.26 1.13 44 L E E 66.63 14.94 12.52 27.21 116.90 -31.18 -81.44 136.98 41.46 58.49 0.05 38.44 1.69 0.11 0.00 0.04 0.00 59.33 0.38 45 E E E 76.85 9.36 20.60 30.73 126.31 -168.72 -123.72 139.66 4.08 95.91 0.01 3.50 0.32 0.02 0.00 0.01 0.00 96.07 0.08 46 W E E 95.93 15.13 19.37 34.17 110.58 -114.80 -73.66 127.25 0.49 99.51 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.01 47 V E E 12.12 20.10 20.93 41.43 100.72 175.84 -101.62 -24.54 2.70 97.29 0.00 1.85 0.57 0.03 0.00 0.00 0.00 97.54 0.01 48 G E E 2.69 18.62 23.58 42.76 145.65 -40.36 165.72 169.96 0.98 99.02 0.00 0.70 0.11 0.01 0.00 0.00 0.00 99.18 0.00 49 Y E E 38.12 17.75 25.01 42.27 134.17 -119.81 -138.78 150.57 0.50 99.50 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.53 0.01 50 I E E 12.15 20.77 20.82 41.85 118.45 -147.69 -111.15 126.44 0.90 99.10 0.00 0.77 0.04 0.00 0.00 0.00 0.00 99.10 0.08 51 Y E E 51.17 12.14 20.78 33.63 125.92 -167.64 -110.06 157.83 19.61 80.32 0.07 17.51 1.25 0.20 0.02 0.05 0.00 80.45 0.52 52 H C T 90.57 13.77 15.35 28.95 93.41 -114.07 -66.48 -23.54 85.40 13.09 1.52 4.36 11.36 70.13 0.09 1.48 0.00 11.93 0.66 53 S C T 79.10 2.40 18.07 20.31 94.95 58.34 -87.49 -2.21 97.07 1.42 1.50 2.86 12.99 81.03 0.08 1.69 0.00 1.15 0.21 54 G C S 39.82 8.30 14.39 23.47 100.63 -100.42 89.91 4.89 95.17 3.08 1.75 14.60 62.31 18.19 0.13 1.80 0.00 2.31 0.65 55 S C C 61.34 4.43 18.29 23.57 118.78 131.11 -83.84 149.39 75.35 24.47 0.18 65.93 7.41 1.11 0.04 0.17 0.00 24.01 1.34 56 T E E 54.12 17.75 12.61 29.27 127.13 -160.97 -125.36 140.89 27.46 72.37 0.17 23.34 3.21 0.43 0.06 0.14 0.00 68.40 4.43 57 S E E 52.05 7.07 21.97 29.76 128.08 -175.08 -129.43 142.70 24.16 75.71 0.14 19.79 4.20 0.50 0.04 0.11 0.00 73.10 2.25 58 Y E E 87.94 17.29 14.98 31.20 125.19 -157.03 -114.05 139.75 44.67 55.17 0.16 37.77 5.52 0.33 0.09 0.12 0.00 47.26 8.92 59 N C C 36.60 14.13 13.43 28.43 109.86 -133.12 -87.02 117.79 98.83 1.13 0.04 97.36 1.61 0.10 0.01 0.01 0.00 0.73 0.18 60 P H G 100.26 2.88 16.21 20.30 91.37 -141.08 -60.67 -29.11 39.22 0.17 60.60 1.61 2.77 33.96 4.34 57.15 0.00 0.10 0.07 61 S H G 71.02 3.99 16.77 21.83 90.49 62.99 -69.47 -21.46 38.27 0.11 61.63 0.68 1.99 35.99 4.20 57.04 0.00 0.06 0.05 62 L H G 13.54 21.01 10.52 31.40 97.70 45.04 -101.48 -0.14 36.41 0.35 63.24 2.18 3.29 29.68 4.40 60.11 0.00 0.21 0.13 63 K C T 110.23 11.44 14.29 26.46 93.58 104.90 -57.99 -35.43 53.07 0.82 46.11 3.41 3.03 47.16 6.07 39.37 0.01 0.48 0.46 64 S C T 93.81 1.07 20.08 19.51 92.01 50.63 -72.45 -11.73 62.45 0.28 37.27 0.94 2.30 60.34 2.36 33.75 0.00 0.17 0.13 65 R C T 83.03 12.86 16.91 29.90 99.79 50.49 -100.78 -13.09 67.80 0.68 31.52 2.74 6.24 57.37 1.54 31.43 0.00 0.52 0.17 66 I E E 5.76 25.50 12.11 37.87 126.70 54.22 -124.63 139.85 17.29 82.52 0.19 14.46 3.04 0.20 0.08 0.11 0.00 81.03 1.08 67 T E E 61.33 6.54 26.69 33.82 125.57 -170.09 -124.20 138.75 2.34 97.64 0.02 2.20 0.10 0.01 0.01 0.01 0.00 97.58 0.09 68 I E E 22.19 23.91 14.61 38.15 121.90 -160.88 -115.69 131.19 2.21 97.77 0.02 2.12 0.06 0.01 0.00 0.01 0.00 97.76 0.04 69 S E E 47.39 6.96 25.58 32.82 127.15 -174.07 -123.90 143.00 4.30 95.69 0.01 3.86 0.21 0.01 0.00 0.01 0.00 95.85 0.06 70 V E E 42.21 19.34 13.83 32.50 120.62 -158.26 -115.86 128.21 5.36 94.59 0.04 4.72 0.48 0.05 0.01 0.02 0.00 94.41 0.30 71 A E E 38.99 7.23 17.31 26.36 109.24 -156.74 -105.08 110.35 27.64 72.23 0.13 26.42 1.00 0.13 0.03 0.08 0.00 71.25 1.09 72 P C T 81.72 8.28 12.61 22.64 93.57 -163.77 -66.38 -28.36 72.18 1.07 26.75 3.16 6.18 58.47 0.52 30.68 0.00 0.78 0.21 73 S C T 92.06 0.99 15.61 15.48 93.83 56.95 -72.47 -29.81 74.52 1.27 24.21 1.77 5.95 63.35 0.41 27.41 0.00 0.81 0.30 74 K C T 114.14 4.52 15.97 21.10 98.34 35.14 -96.12 -1.26 78.48 0.27 21.25 1.94 7.93 63.96 0.26 25.66 0.00 0.16 0.10 75 N C T 59.23 13.88 15.12 29.45 95.40 -128.23 56.13 42.44 99.28 0.25 0.47 5.02 5.80 88.46 0.04 0.44 0.00 0.21 0.03 76 H E E 61.97 10.51 22.14 33.43 133.57 122.11 -132.57 151.12 7.84 92.14 0.02 6.64 0.83 0.08 0.01 0.01 0.00 89.34 3.10 77 F E E 11.00 23.98 17.44 41.51 126.83 -160.26 -124.17 141.04 4.70 95.30 0.00 4.27 0.18 0.02 0.00 0.00 0.00 95.39 0.14 78 S E E 24.60 12.63 26.39 39.49 128.63 -169.07 -126.44 143.32 5.70 94.30 0.00 4.88 0.26 0.01 0.00 0.00 0.00 94.83 0.02 79 L E E 5.47 25.24 18.66 44.38 121.47 -160.17 -115.52 130.51 0.53 99.47 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.01 80 E E E 76.64 9.17 26.68 36.26 118.10 -159.87 -109.65 126.74 0.16 99.84 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.01 81 L E E 10.09 24.11 15.13 39.53 115.67 -165.95 -110.89 123.26 9.24 90.76 0.00 9.55 0.05 0.00 0.00 0.00 0.00 89.71 0.69 82 T C C 68.84 6.13 22.33 28.76 124.38 -173.43 -108.70 152.47 89.23 10.73 0.04 46.91 36.28 4.12 0.00 0.07 0.00 12.41 0.20 83 S C S 67.45 4.31 23.62 28.03 96.03 10.48 56.86 51.46 97.26 2.71 0.02 11.51 80.45 5.03 0.00 0.03 0.00 2.82 0.14 84 M C C 17.70 24.59 10.64 34.61 115.69 -154.12 -85.08 137.03 96.25 3.74 0.01 95.91 0.92 0.01 0.00 0.00 0.00 2.42 0.73 85 T C C 56.21 5.12 24.92 29.82 133.60 -172.18 -125.86 167.59 92.00 7.97 0.03 92.03 0.39 0.01 0.01 0.01 0.00 2.01 5.54 86 A H G 54.27 13.26 16.33 29.60 90.58 -98.85 -59.07 -32.55 6.40 0.10 93.50 0.40 0.58 4.49 0.51 93.94 0.00 0.07 0.01 87 A H G 65.92 5.52 21.77 28.22 89.84 62.77 -69.95 -17.05 5.69 0.14 94.17 0.27 0.49 4.14 0.35 94.64 0.00 0.10 0.01 88 D H G 14.52 21.02 17.31 38.53 94.06 60.69 -88.69 -1.34 6.67 0.18 93.15 1.61 0.94 2.66 0.45 94.19 0.00 0.13 0.01 89 T C C 31.13 17.77 21.37 38.81 116.08 105.26 -81.39 135.53 89.93 9.75 0.32 86.29 3.52 0.29 0.06 0.22 0.00 9.22 0.41 90 A E E 14.12 17.25 24.26 41.05 144.14 146.04 -159.36 170.45 5.00 94.96 0.04 4.74 0.33 0.04 0.01 0.02 0.00 94.31 0.54 91 V E E 28.00 17.12 25.51 42.20 119.30 -104.20 -103.91 132.39 0.89 99.10 0.00 0.91 0.03 0.00 0.00 0.00 0.00 99.02 0.04 92 Y E E 8.31 24.65 21.90 46.32 123.64 -164.96 -112.56 138.49 0.51 99.49 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.48 0.01 93 Y E E 28.25 18.86 27.59 45.52 130.88 -170.55 -127.08 146.56 1.48 98.48 0.04 1.28 0.10 0.02 0.01 0.01 0.00 98.55 0.04 94 C E E 3.68 24.73 23.69 48.06 128.72 -164.33 -122.78 143.25 8.24 91.31 0.45 6.84 0.81 0.25 0.17 0.17 0.00 91.52 0.24 95 A E E 9.26 18.99 24.62 43.25 130.18 -168.32 -126.29 147.40 13.49 85.48 1.04 11.71 1.35 0.49 0.48 0.44 0.00 84.74 0.78 96 R E E 62.49 15.66 22.11 37.25 119.91 -137.09 -103.40 135.21 25.06 73.65 1.29 20.42 4.55 1.48 0.54 0.77 0.00 70.19 2.05 97 L C E 60.08 13.35 18.01 31.37 114.76 -137.60 -95.93 130.51 50.71 47.41 1.88 34.75 13.23 5.02 0.50 1.46 0.01 42.85 2.17 98 G C C 37.84 8.32 16.31 25.31 116.30 53.47 77.34 155.26 78.83 18.65 2.52 43.72 22.14 13.58 0.38 2.39 0.00 16.08 1.72 99 G C S 46.70 5.24 13.98 20.45 111.68 -58.49 76.42 -101.63 87.50 6.97 5.53 29.11 32.25 26.64 0.67 5.11 0.00 4.54 1.67 100 H C T 142.99 3.06 13.03 17.39 108.13 -11.40 -92.19 77.93 87.09 3.69 9.21 19.05 32.98 35.41 1.20 7.86 0.01 1.99 1.51 101 G C T 47.33 4.12 13.39 18.76 117.01 22.28 93.23 -168.26 84.54 2.52 12.94 17.18 33.49 34.21 1.45 11.19 0.00 1.32 1.16 102 D C T 107.48 3.93 13.82 19.04 102.41 -52.70 -82.24 6.30 80.23 5.29 14.48 23.67 27.09 30.65 1.85 11.86 0.01 2.93 1.92 103 Y C C 131.38 7.58 14.16 22.56 103.22 73.66 -91.62 12.70 75.37 12.45 12.18 32.07 20.81 24.46 2.15 9.38 0.04 7.44 3.66 104 G C C 29.49 10.88 16.31 27.51 114.70 117.22 -94.99 166.54 77.73 17.37 4.89 41.96 23.12 13.83 1.00 4.01 0.01 12.91 3.15 105 S C C 41.79 14.61 16.26 30.50 119.79 -96.22 -103.27 139.86 64.83 32.53 2.64 44.71 13.62 6.81 0.64 2.27 0.01 27.73 4.20 106 D E E 54.62 13.04 19.45 32.46 118.60 -147.81 -104.36 130.62 45.32 53.09 1.59 35.27 7.96 2.95 0.51 1.22 0.00 47.40 4.69 107 Y E E 95.77 14.20 19.88 33.33 115.34 -146.58 -94.20 126.91 33.24 65.04 1.72 24.63 6.82 3.26 0.70 1.23 0.01 57.40 5.94 108 W E E 62.62 18.18 17.69 34.81 107.68 -162.15 -96.54 49.82 43.14 54.49 2.36 30.10 8.30 6.58 0.91 1.71 0.02 44.06 8.33 109 G C C 24.54 12.84 19.75 32.12 119.07 -150.09 54.60 -159.89 75.41 22.94 1.65 39.62 24.61 12.17 0.28 1.50 0.00 19.86 1.97 110 Q C S 113.25 6.32 21.98 28.62 100.55 -33.23 -82.93 4.11 80.20 18.02 1.78 28.20 38.02 14.46 0.23 1.57 0.00 15.99 1.53 111 G C C 16.45 16.66 18.30 33.96 126.41 -121.72 92.81 -175.87 72.23 27.24 0.53 47.95 18.09 5.38 0.06 0.56 0.00 27.12 0.85 112 T E E 25.56 18.33 20.25 38.11 123.02 -101.57 -110.24 137.64 18.41 81.54 0.05 16.31 1.60 0.10 0.01 0.03 0.00 81.40 0.54 113 L E E 69.81 11.39 24.51 35.77 116.32 -139.01 -96.51 129.34 1.76 98.24 0.00 1.62 0.07 0.00 0.00 0.00 0.00 98.23 0.08 114 V E E 9.29 23.92 16.56 40.80 121.14 -167.80 -115.04 131.45 0.79 99.21 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.17 0.01 115 T E E 57.56 7.57 25.53 33.53 118.17 -156.74 -104.79 129.84 1.09 98.90 0.00 1.05 0.03 0.00 0.00 0.00 0.00 98.87 0.04 116 V E E 18.65 22.09 12.91 34.55 118.99 -160.01 -106.08 130.05 9.23 90.74 0.02 8.58 0.44 0.05 0.00 0.01 0.00 90.39 0.53 117 S E E 55.82 6.00 18.22 25.00 126.04 -167.90 -113.28 156.55 46.97 52.94 0.09 45.13 0.85 0.20 0.02 0.06 0.00 52.40 1.34 118 S C C 73.50 6.62 15.92 23.49 108.28 -99.43 -79.42 129.40 99.70 0.30 0.01 99.65 0.10 0.02 0.00 0.00 0.00 0.21 0.01